Complet list of 1ron con file
Complete list of 1ron.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 180
C A 0001 TYR CA 2.923 C A 0002 PRO CD
C A 0001 TYR C 2.483 C A 0002 PRO CA
C A 0001 TYR C 3.144 C A 0002 PRO C
C A 0001 TYR C 3.670 C A 0002 PRO CB
C A 0001 TYR C 3.649 C A 0002 PRO CG
C A 0001 TYR C 2.525 C A 0002 PRO CD
C A 0002 PRO C 2.460 C A 0003 SER CA
C A 0002 PRO C 3.599 C A 0003 SER C
C A 0002 PRO C 3.362 C A 0003 SER CB
C A 0003 SER C 2.438 C A 0004 LYS CA
C A 0003 SER C 3.195 C A 0004 LYS C
C A 0003 SER C 3.700 C A 0004 LYS CB
C A 0004 LYS CA 3.042 C A 0005 PRO CD
C A 0004 LYS C 2.489 C A 0005 PRO CA
C A 0004 LYS C 3.243 C A 0005 PRO C
C A 0004 LYS C 3.648 C A 0005 PRO CB
C A 0004 LYS C 3.695 C A 0005 PRO CG
C A 0004 LYS C 2.548 C A 0005 PRO CD
C A 0004 LYS CB 3.059 C A 0005 PRO CD
C A 0005 PRO C 2.441 C A 0006 ASP CA
C A 0005 PRO C 3.574 C A 0006 ASP C
C A 0005 PRO C 3.405 C A 0006 ASP CB
C A 0006 ASP C 2.476 C A 0007 ASN CA
C A 0006 ASP C 3.653 C A 0007 ASN C
C A 0006 ASP C 3.250 C A 0007 ASN CB
C A 0006 ASP C 3.732 C A 0007 ASN CG
C A 0007 ASN CA 2.989 C A 0008 PRO CD
C A 0007 ASN C 2.490 C A 0008 PRO CA
C A 0007 ASN C 3.238 C A 0008 PRO C
C A 0007 ASN C 3.664 C A 0008 PRO CB
C A 0007 ASN C 3.645 C A 0008 PRO CG
C A 0007 ASN C 2.520 C A 0008 PRO CD
C A 0007 ASN CB 3.546 C A 0008 PRO CD
C A 0007 ASN CB 3.794 C A 0011 ASP CG
C A 0007 ASN CG 3.624 C A 0011 ASP CG
C A 0008 PRO C 2.458 C A 0009 GLY CA
C A 0008 PRO C 3.183 C A 0009 GLY C
C A 0009 GLY C 2.501 C A 0010 GLU CA
C A 0009 GLY C 3.228 C A 0010 GLU C
C A 0009 GLY C 3.668 C A 0010 GLU CB
C A 0010 GLU C 2.453 C A 0011 ASP CA
C A 0010 GLU C 3.281 C A 0011 ASP C
C A 0010 GLU C 3.652 C A 0011 ASP CB
C A 0011 ASP C 2.452 C A 0012 ALA CA
C A 0011 ASP C 3.486 C A 0012 ALA C
C A 0011 ASP C 3.565 C A 0012 ALA CB
C A 0011 ASP CA 3.785 H A 0013 PRO CD
C A 0011 ASP C 2.924 H A 0013 PRO CD
C A 0012 ALA CA 3.031 H A 0013 PRO CD
C A 0012 ALA C 2.449 H A 0013 PRO CA
C A 0012 ALA C 3.131 H A 0013 PRO C
C A 0012 ALA C 3.625 H A 0013 PRO CB
C A 0012 ALA C 3.682 H A 0013 PRO CG
C A 0012 ALA C 2.524 H A 0013 PRO CD
H A 0013 PRO CA 3.734 H A 0014 ALA CA
H A 0013 PRO C 2.385 H A 0014 ALA CA
H A 0013 PRO C 2.805 H A 0014 ALA C
H A 0013 PRO C 3.652 H A 0014 ALA CB
H A 0014 ALA C 2.447 H A 0015 GLU CA
H A 0014 ALA C 3.271 H A 0015 GLU C
H A 0014 ALA C 3.645 H A 0015 GLU CB
H A 0015 GLU CA 3.742 H A 0016 ASP CA
H A 0015 GLU C 2.347 H A 0016 ASP CA
H A 0015 GLU C 2.988 H A 0016 ASP C
H A 0015 GLU C 3.624 H A 0016 ASP CB
H A 0015 GLU C 3.762 H A 0018 ALA CB
H A 0016 ASP C 2.403 H A 0017 MET CA
H A 0016 ASP C 2.964 H A 0017 MET C
H A 0016 ASP C 3.627 H A 0017 MET CB
H A 0016 ASP CA 3.686 H A 0019 ARG CB
H A 0016 ASP C 3.796 H A 0019 ARG CA
H A 0016 ASP C 3.692 H A 0019 ARG CB
H A 0016 ASP C 3.759 H A 0020 TYR CG
H A 0016 ASP C 3.525 H A 0020 TYR CD1
H A 0016 ASP C 3.745 H A 0020 TYR CE1
H A 0016 ASP CG 3.143 H A 0020 TYR CE1
H A 0016 ASP CG 3.488 H A 0020 TYR CZ
H A 0017 MET CA 3.767 H A 0018 ALA CA
H A 0017 MET C 2.395 H A 0018 ALA CA
H A 0017 MET C 2.779 H A 0018 ALA C
H A 0017 MET C 3.575 H A 0018 ALA CB
H A 0017 MET CA 3.420 H A 0020 TYR CB
H A 0017 MET CA 3.331 H A 0020 TYR CG
H A 0017 MET CA 3.375 H A 0020 TYR CD2
H A 0017 MET C 3.407 H A 0020 TYR CB
H A 0017 MET CE 3.511 H A 0021 TYR CZ
H A 0018 ALA CA 3.711 H A 0019 ARG CA
H A 0018 ALA C 2.380 H A 0019 ARG CA
H A 0018 ALA C 2.971 H A 0019 ARG C
H A 0018 ALA C 3.649 H A 0019 ARG CB
H A 0019 ARG C 2.465 H A 0020 TYR CA
H A 0019 ARG C 3.340 H A 0020 TYR C
H A 0019 ARG C 3.571 H A 0020 TYR CB
H A 0019 ARG C 3.396 H A 0020 TYR CD1
H A 0020 TYR CA 3.648 H A 0021 TYR CA
H A 0020 TYR C 2.328 H A 0021 TYR CA
H A 0020 TYR C 2.840 H A 0021 TYR C
H A 0020 TYR C 3.489 H A 0021 TYR CB
H A 0020 TYR C 3.702 H A 0021 TYR CD1
H A 0020 TYR C 3.737 H A 0022 SER C
H A 0020 TYR CA 3.591 H A 0023 ALA CB
H A 0020 TYR CD1 3.358 H A 0023 ALA CB
H A 0020 TYR CA 3.478 H A 0024 LEU CD2
H A 0020 TYR C 3.493 H A 0024 LEU CD2
H A 0020 TYR CB 3.028 H A 0024 LEU CD2
H A 0020 TYR CG 3.404 H A 0024 LEU CD2
H A 0020 TYR CD2 3.760 H A 0024 LEU CD2
H A 0021 TYR CA 3.767 H A 0022 SER CA
H A 0021 TYR C 2.450 H A 0022 SER CA
H A 0021 TYR C 3.312 H A 0022 SER C
H A 0021 TYR C 3.509 H A 0022 SER CB
H A 0021 TYR C 3.560 H A 0025 ARG CB
H A 0022 SER C 2.476 H A 0023 ALA CA
H A 0022 SER C 3.064 H A 0023 ALA C
H A 0022 SER C 3.790 H A 0023 ALA CB
H A 0023 ALA C 2.415 H A 0024 LEU CA
H A 0023 ALA C 3.013 H A 0024 LEU C
H A 0023 ALA C 3.743 H A 0024 LEU CB
H A 0024 LEU CA 3.671 H A 0025 ARG CA
H A 0024 LEU C 2.357 H A 0025 ARG CA
H A 0024 LEU C 2.793 H A 0025 ARG C
H A 0024 LEU C 3.631 H A 0025 ARG CB
H A 0024 LEU CA 3.747 H A 0027 TYR CB
H A 0024 LEU C 3.654 H A 0027 TYR CB
H A 0025 ARG CA 3.761 H A 0026 HIS CA
H A 0025 ARG C 2.432 H A 0026 HIS CA
H A 0025 ARG C 2.939 H A 0026 HIS C
H A 0025 ARG C 3.706 H A 0026 HIS CB
H A 0026 HIS CA 3.673 H A 0027 TYR CA
H A 0026 HIS C 2.350 H A 0027 TYR CA
H A 0026 HIS C 2.815 H A 0027 TYR C
H A 0026 HIS C 3.645 H A 0027 TYR CB
H A 0027 TYR CA 3.603 H A 0028 ILE CA
H A 0027 TYR C 2.327 H A 0028 ILE CA
H A 0027 TYR C 2.861 H A 0028 ILE C
H A 0027 TYR C 3.635 H A 0028 ILE CB
H A 0027 TYR C 3.743 H A 0031 ILE CB
H A 0027 TYR C 3.605 H A 0031 ILE CG2
H A 0028 ILE CA 3.750 H A 0029 ASN CA
H A 0028 ILE C 2.402 H A 0029 ASN CA
H A 0028 ILE C 3.188 H A 0029 ASN C
H A 0028 ILE C 3.593 H A 0029 ASN CB
H A 0028 ILE CA 3.211 H A 0031 ILE CG2
H A 0028 ILE C 3.423 H A 0031 ILE CG2
H A 0029 ASN CA 3.738 H A 0030 LEU CA
H A 0029 ASN C 2.397 H A 0030 LEU CA
H A 0029 ASN C 3.231 H A 0030 LEU C
H A 0029 ASN C 3.525 H A 0030 LEU CB
H A 0029 ASN CA 3.751 H A 0032 THR CG2
H A 0029 ASN C 3.342 H A 0032 THR CG2
H A 0030 LEU CA 3.742 H A 0031 ILE CA
H A 0030 LEU C 2.382 H A 0031 ILE CA
H A 0030 LEU C 3.046 H A 0031 ILE C
H A 0030 LEU C 3.623 H A 0031 ILE CB
H A 0030 LEU C 3.681 H A 0033 ARG CG
H A 0030 LEU CD1 3.787 H A 0034 GLN CG
H A 0031 ILE CA 3.758 H A 0032 THR CA
H A 0031 ILE C 2.386 H A 0032 THR CA
H A 0031 ILE C 2.848 H A 0032 THR C
H A 0031 ILE C 3.627 H A 0032 THR CB
H A 0031 ILE CA 3.691 H A 0034 GLN CB
H A 0031 ILE CA 3.430 H A 0034 GLN CG
H A 0031 ILE C 3.687 H A 0034 GLN CB
H A 0032 THR C 2.443 H A 0033 ARG CA
H A 0032 THR C 3.057 H A 0033 ARG C
H A 0032 THR C 3.682 H A 0033 ARG CB
H A 0033 ARG CA 3.800 H A 0034 GLN CA
H A 0033 ARG C 2.478 H A 0034 GLN CA
H A 0033 ARG C 2.895 H A 0034 GLN C
H A 0033 ARG C 3.709 H A 0034 GLN CB
H A 0033 ARG CA 3.799 H A 0036 TYR CD2
H A 0034 GLN CA 3.798 H A 0035 ARG CA
H A 0034 GLN C 2.440 H A 0035 ARG CA
H A 0034 GLN C 2.930 H A 0035 ARG C
H A 0034 GLN C 3.725 H A 0035 ARG CB
H A 0035 ARG CA 3.784 H A 0036 TYR CA
H A 0035 ARG C 2.452 H A 0036 TYR CA
H A 0035 ARG C 3.092 H A 0036 TYR C
H A 0035 ARG C 3.696 H A 0036 TYR CB
H A 0035 ARG C 3.743 H A 0036 TYR CD1
CHARGE_ATTR 2.00 12.00 9
H A 0015 GLU OE1 6.777 H A 0019 ARG NH1
H A 0015 GLU OE1 7.330 H A 0019 ARG NH2
H A 0015 GLU OE2 7.223 H A 0019 ARG NH1
H A 0015 GLU OE2 7.939 H A 0019 ARG NH2
H A 0016 ASP OD1 4.704 H A 0019 ARG NH1
H A 0016 ASP OD1 6.061 H A 0019 ARG NH2
H A 0016 ASP OD2 6.011 H A 0019 ARG NH1
H A 0016 ASP OD2 7.728 H A 0019 ARG NH2
H A 0016 ASP OD1 10.64 H A 0025 ARG NH2
CHARGE_REPU 2.00 12.00 32
C A 0006 ASP OD1 10.01 C A 0011 ASP OD1
C A 0006 ASP OD1 9.545 C A 0011 ASP OD2
C A 0006 ASP OD2 9.679 C A 0011 ASP OD1
C A 0006 ASP OD2 9.628 C A 0011 ASP OD2
C A 0010 GLU OE1 7.869 C A 0011 ASP OD1
C A 0010 GLU OE1 9.727 C A 0011 ASP OD2
C A 0010 GLU OE2 7.287 C A 0011 ASP OD1
C A 0010 GLU OE2 8.818 C A 0011 ASP OD2
C A 0010 GLU OE1 9.051 H A 0016 ASP OD1
C A 0010 GLU OE1 6.900 H A 0016 ASP OD2
C A 0010 GLU OE2 9.825 H A 0016 ASP OD1
C A 0010 GLU OE2 7.810 H A 0016 ASP OD2
C A 0011 ASP OD1 11.49 H A 0016 ASP OD2
H A 0015 GLU OE1 7.504 H A 0016 ASP OD1
H A 0015 GLU OE1 8.941 H A 0016 ASP OD2
H A 0015 GLU OE2 8.779 H A 0016 ASP OD1
H A 0015 GLU OE2 9.969 H A 0016 ASP OD2
H A 0019 ARG NH1 11.37 H A 0025 ARG NH2
H A 0019 ARG NH2 11.85 H A 0025 ARG NH1
H A 0019 ARG NH2 9.951 H A 0025 ARG NH2
H A 0019 ARG NH2 11.92 H A 0026 HIS ND1
H A 0019 ARG NH2 10.75 H A 0026 HIS NE2
H A 0025 ARG NH1 6.102 H A 0026 HIS ND1
H A 0025 ARG NH1 6.005 H A 0026 HIS NE2
H A 0025 ARG NH2 5.247 H A 0026 HIS ND1
H A 0025 ARG NH2 5.146 H A 0026 HIS NE2
H A 0025 ARG NH1 11.00 H A 0033 ARG NH2
H A 0025 ARG NH2 11.73 H A 0033 ARG NH2
H A 0026 HIS ND1 10.09 H A 0033 ARG NH1
H A 0026 HIS ND1 8.010 H A 0033 ARG NH2
H A 0026 HIS NE2 10.92 H A 0033 ARG NH1
H A 0026 HIS NE2 8.706 H A 0033 ARG NH2
HB_MM 2.00 3.20 74
C A 0002 PRO N 2.218 C A 0001 TYR O
C A 0003 SER N 2.228 C A 0002 PRO O
C A 0004 LYS N 2.230 C A 0003 SER O
C A 0005 PRO N 2.219 C A 0004 LYS O
C A 0006 ASP N 2.218 C A 0005 PRO O
C A 0007 ASN N 2.232 C A 0006 ASP O
C A 0008 PRO N 2.211 C A 0007 ASN O
C A 0009 GLY N 2.720 C A 0007 ASN O
C A 0009 GLY N 2.209 C A 0008 PRO O
C A 0010 GLU N 2.662 C A 0008 PRO O
C A 0010 GLU N 2.204 C A 0009 GLY O
C A 0011 ASP N 2.678 C A 0009 GLY O
C A 0011 ASP N 2.196 C A 0010 GLU O
C A 0012 ALA N 2.223 C A 0011 ASP O
H A 0013 PRO N 2.192 C A 0012 ALA O
H A 0014 ALA N 2.966 C A 0012 ALA O
H A 0014 ALA N 2.208 H A 0013 PRO O
H A 0015 GLU N 2.942 C A 0012 ALA O
H A 0015 GLU N 2.997 H A 0013 PRO O
H A 0015 GLU N 2.239 H A 0014 ALA O
H A 0016 ASP N 2.193 H A 0015 GLU O
H A 0017 MET N 2.645 H A 0013 PRO O
H A 0017 MET N 2.207 H A 0016 ASP O
H A 0018 ALA N 3.181 H A 0015 GLU O
H A 0018 ALA N 3.089 H A 0016 ASP O
H A 0018 ALA N 2.190 H A 0017 MET O
H A 0019 ARG N 2.741 H A 0015 GLU O
H A 0019 ARG N 2.758 H A 0016 ASP O
H A 0019 ARG N 2.245 H A 0018 ALA O
H A 0020 TYR N 2.685 H A 0016 ASP O
H A 0020 TYR N 2.890 H A 0017 MET O
H A 0020 TYR N 2.627 H A 0018 ALA O
H A 0020 TYR N 2.216 H A 0019 ARG O
H A 0021 TYR N 3.007 H A 0018 ALA O
H A 0021 TYR N 2.219 H A 0020 TYR O
H A 0022 SER N 2.777 H A 0020 TYR O
H A 0022 SER N 2.226 H A 0021 TYR O
H A 0023 ALA N 2.629 H A 0019 ARG O
H A 0023 ALA N 3.059 H A 0020 TYR O
H A 0023 ALA N 2.198 H A 0022 SER O
H A 0024 LEU N 2.593 H A 0020 TYR O
H A 0024 LEU N 2.212 H A 0023 ALA O
H A 0025 ARG N 2.222 H A 0024 LEU O
H A 0026 HIS N 2.605 H A 0022 SER O
H A 0026 HIS N 2.230 H A 0025 ARG O
H A 0027 TYR N 2.648 H A 0023 ALA O
H A 0027 TYR N 2.979 H A 0024 LEU O
H A 0027 TYR N 3.109 H A 0025 ARG O
H A 0027 TYR N 2.227 H A 0026 HIS O
H A 0028 ILE N 2.740 H A 0024 LEU O
H A 0028 ILE N 2.990 H A 0025 ARG O
H A 0028 ILE N 2.236 H A 0027 TYR O
H A 0029 ASN N 3.153 H A 0025 ARG O
H A 0029 ASN N 2.936 H A 0026 HIS O
H A 0029 ASN N 2.796 H A 0027 TYR O
H A 0029 ASN N 2.220 H A 0028 ILE O
H A 0030 LEU N 3.051 H A 0026 HIS O
H A 0030 LEU N 2.882 H A 0027 TYR O
H A 0030 LEU N 2.219 H A 0029 ASN O
H A 0031 ILE N 2.584 H A 0027 TYR O
H A 0031 ILE N 2.207 H A 0030 LEU O
H A 0032 THR N 3.043 H A 0028 ILE O
H A 0032 THR N 2.225 H A 0031 ILE O
H A 0033 ARG N 3.182 H A 0030 LEU O
H A 0033 ARG N 2.730 H A 0031 ILE O
H A 0033 ARG N 2.227 H A 0032 THR O
H A 0034 GLN N 2.731 H A 0031 ILE O
H A 0034 GLN N 2.235 H A 0033 ARG O
H A 0035 ARG N 3.028 H A 0031 ILE O
H A 0035 ARG N 2.911 H A 0033 ARG O
H A 0035 ARG N 2.231 H A 0034 GLN O
H A 0036 TYR N 2.598 H A 0033 ARG O
H A 0036 TYR N 3.096 H A 0034 GLN O
H A 0036 TYR N 2.235 H A 0035 ARG O
HB_MS 2.00 3.20 5
H A 0018 ALA O 2.952 H A 0022 SER OG
H A 0019 ARG O 2.845 H A 0022 SER OG
H A 0022 SER O 2.889 H A 0025 ARG NH2
H A 0023 ALA N 3.149 H A 0022 SER OG
H A 0025 ARG O 2.434 H A 0029 ASN ND2
HB_SS 2.00 3.20 2
C A 0011 ASP OD1 2.772 C A 0007 ASN ND2
H A 0016 ASP OD2 2.824 H A 0020 TYR OH
AROMATIC 0.00 8.00 2
H A 0025 ARG 4.556 H A 0026 HIS
H A 0035 ARG 6.598 H A 0036 TYR